molecule_smiles
stringlengths
1
1.15k
SELFIES
stringlengths
3
4.03k
CC#CC(=O)C(F)(F)F
[C][C][#C][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F]
CC#CC(C)C(F)(F)F
[C][C][#C][C][Branch1][C][C][C][Branch1][C][F][Branch1][C][F][F]
CC#CC(N)C(F)(F)F
[C][C][#C][C][Branch1][C][N][C][Branch1][C][F][Branch1][C][F][F]
CC#CC(O)C(F)(F)F
[C][C][#C][C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F]
CC#CCCC(F)(F)F
[C][C][#C][C][C][C][Branch1][C][F][Branch1][C][F][F]
CC(=O)C#CC(F)(F)F
[C][C][=Branch1][C][=O][C][#C][C][Branch1][C][F][Branch1][C][F][F]
NC(=O)C#CC(F)(F)F
[N][C][=Branch1][C][=O][C][#C][C][Branch1][C][F][Branch1][C][F][F]
CC(=O)C(=O)C(F)(F)F
[C][C][=Branch1][C][=O][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F]
N=C(N)C(=O)C(F)(F)F
[N][=C][Branch1][C][N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F]
CC(=N)OCC(F)(F)F
[C][C][=Branch1][C][=N][O][C][C][Branch1][C][F][Branch1][C][F][F]
CC(=O)CCC(F)(F)F
[C][C][=Branch1][C][=O][C][C][C][Branch1][C][F][Branch1][C][F][F]
CC(=O)NCC(F)(F)F
[C][C][=Branch1][C][=O][N][C][C][Branch1][C][F][Branch1][C][F][F]
CC(=O)OCC(F)(F)F
[C][C][=Branch1][C][=O][O][C][C][Branch1][C][F][Branch1][C][F][F]
NC(=O)CCC(F)(F)F
[N][C][=Branch1][C][=O][C][C][C][Branch1][C][F][Branch1][C][F][F]
NC(=O)NCC(F)(F)F
[N][C][=Branch1][C][=O][N][C][C][Branch1][C][F][Branch1][C][F][F]
NC(=O)OCC(F)(F)F
[N][C][=Branch1][C][=O][O][C][C][Branch1][C][F][Branch1][C][F][F]
CC(=O)C(O)C(F)(F)F
[C][C][=Branch1][C][=O][C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F]
CC(=O)C(C)C(F)(F)F
[C][C][=Branch1][C][=O][C][Branch1][C][C][C][Branch1][C][F][Branch1][C][F][F]
CC(C(N)=O)C(F)(F)F
[C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch1][C][F][Branch1][C][F][F]
NC(=O)C(N)C(F)(F)F
[N][C][=Branch1][C][=O][C][Branch1][C][N][C][Branch1][C][F][Branch1][C][F][F]
NC(=O)C(O)C(F)(F)F
[N][C][=Branch1][C][=O][C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F]
FC(F)(F)C#CC1CC1
[F][C][Branch1][C][F][Branch1][C][F][C][#C][C][C][C][Ring1][Ring1]
FC(F)(F)C#CC1CN1
[F][C][Branch1][C][F][Branch1][C][F][C][#C][C][C][N][Ring1][Ring1]
FC(F)(F)C#CC1CO1
[F][C][Branch1][C][F][Branch1][C][F][C][#C][C][C][O][Ring1][Ring1]
C#CCC#CC(F)(F)F
[C][#C][C][C][#C][C][Branch1][C][F][Branch1][C][F][F]
N#CCC#CC(F)(F)F
[N][#C][C][C][#C][C][Branch1][C][F][Branch1][C][F][F]
O=CCC#CC(F)(F)F
[O][=C][C][C][#C][C][Branch1][C][F][Branch1][C][F][F]
N=C(N1CC1)C(F)(F)F
[N][=C][Branch1][=Branch1][N][C][C][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F]
O=C(C1CC1)C(F)(F)F
[O][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F]
O=C(C1CN1)C(F)(F)F
[O][=C][Branch1][=Branch1][C][C][N][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F]
O=C(C1CO1)C(F)(F)F
[O][=C][Branch1][=Branch1][C][C][O][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F]
O=C(N1CC1)C(F)(F)F
[O][=C][Branch1][=Branch1][N][C][C][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F]
C#CCC(=O)C(F)(F)F
[C][#C][C][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F]
N=C(N=CN)C(F)(F)F
[N][=C][Branch1][Ring2][N][=C][N][C][Branch1][C][F][Branch1][C][F][F]
N=C(NC=O)C(F)(F)F
[N][=C][Branch1][Ring2][N][C][=O][C][Branch1][C][F][Branch1][C][F][F]
N=CNC(=O)C(F)(F)F
[N][=C][N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F]
O=CNC(=O)C(F)(F)F
[O][=C][N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F]
N=COC(=O)C(F)(F)F
[N][=C][O][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F]
C#CC(C#C)C(F)(F)F
[C][#C][C][Branch1][Ring1][C][#C][C][Branch1][C][F][Branch1][C][F][F]
C#CC(C#N)C(F)(F)F
[C][#C][C][Branch1][Ring1][C][#N][C][Branch1][C][F][Branch1][C][F][F]
C#CC(C)(C)C(F)(F)F
[C][#C][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][F][Branch1][C][F][F]
CC(C)(C#N)C(F)(F)F
[C][C][Branch1][C][C][Branch1][Ring1][C][#N][C][Branch1][C][F][Branch1][C][F][F]
C#CC(C)(N)C(F)(F)F
[C][#C][C][Branch1][C][C][Branch1][C][N][C][Branch1][C][F][Branch1][C][F][F]
CC(N)(C#N)C(F)(F)F
[C][C][Branch1][C][N][Branch1][Ring1][C][#N][C][Branch1][C][F][Branch1][C][F][F]
C#CC(C)(O)C(F)(F)F
[C][#C][C][Branch1][C][C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F]
CC(O)(C#N)C(F)(F)F
[C][C][Branch1][C][O][Branch1][Ring1][C][#N][C][Branch1][C][F][Branch1][C][F][F]
CC(C)(C=O)C(F)(F)F
[C][C][Branch1][C][C][Branch1][Ring1][C][=O][C][Branch1][C][F][Branch1][C][F][F]
CC(O)(C=O)C(F)(F)F
[C][C][Branch1][C][O][Branch1][Ring1][C][=O][C][Branch1][C][F][Branch1][C][F][F]
C#CC(C=O)C(F)(F)F
[C][#C][C][Branch1][Ring1][C][=O][C][Branch1][C][F][Branch1][C][F][F]
CC1(C(F)(F)F)CCC1
[C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][C][Ring1][Branch2]
CC1(C(F)(F)F)CCN1
[C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][N][Ring1][Branch2]
CC1(C(F)(F)F)CCO1
[C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][O][Ring1][Branch2]
CC1(C(F)(F)F)COC1
[C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][O][C][Ring1][Branch2]
NC1(C(F)(F)F)CCC1
[N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][C][Ring1][Branch2]
NC1(C(F)(F)F)COC1
[N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][O][C][Ring1][Branch2]
OC1(C(F)(F)F)CCC1
[O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][C][Ring1][Branch2]
OC1(C(F)(F)F)CNC1
[O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][N][C][Ring1][Branch2]
OC1(C(F)(F)F)COC1
[O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][O][C][Ring1][Branch2]
C#CC1(C(F)(F)F)CC1
[C][#C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][#Branch1]
N#CC1(C(F)(F)F)CC1
[N][#C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][#Branch1]
C#CC1(C(F)(F)F)CN1
[C][#C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][N][Ring1][#Branch1]
N#CC1(C(F)(F)F)CN1
[N][#C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][N][Ring1][#Branch1]
C#CC1(C(F)(F)F)CO1
[C][#C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][O][Ring1][#Branch1]
N#CC1(C(F)(F)F)CO1
[N][#C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][O][Ring1][#Branch1]
O=CC1(C(F)(F)F)CC1
[O][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][#Branch1]
O=CC1(C(F)(F)F)CN1
[O][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][N][Ring1][#Branch1]
O=CC1(C(F)(F)F)CO1
[O][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][O][Ring1][#Branch1]
FC(F)(F)C12CC(C1)C2
[F][C][Branch1][C][F][Branch1][C][F][C][C][C][Branch1][Ring2][C][Ring1][Ring2][C][Ring1][Branch1]
FC(F)(F)C12CC(C1)N2
[F][C][Branch1][C][F][Branch1][C][F][C][C][C][Branch1][Ring2][C][Ring1][Ring2][N][Ring1][Branch1]
FC(F)(F)C12CC(C1)O2
[F][C][Branch1][C][F][Branch1][C][F][C][C][C][Branch1][Ring2][C][Ring1][Ring2][O][Ring1][Branch1]
FC(F)(F)C12CN(C1)C2
[F][C][Branch1][C][F][Branch1][C][F][C][C][N][Branch1][Ring2][C][Ring1][Ring2][C][Ring1][Branch1]
FC(F)(F)C12CCC1C2
[F][C][Branch1][C][F][Branch1][C][F][C][C][C][C][Ring1][Ring2][C][Ring1][Branch1]
FC(F)(F)C12CC1CN2
[F][C][Branch1][C][F][Branch1][C][F][C][C][C][Ring1][Ring1][C][N][Ring1][Branch1]
FC(F)(F)C12CC1CO2
[F][C][Branch1][C][F][Branch1][C][F][C][C][C][Ring1][Ring1][C][O][Ring1][Branch1]
FC(F)(F)C12COC1C2
[F][C][Branch1][C][F][Branch1][C][F][C][C][O][C][Ring1][Ring2][C][Ring1][Branch1]
FC(F)(F)C12CCC1N2
[F][C][Branch1][C][F][Branch1][C][F][C][C][C][C][Ring1][Ring2][N][Ring1][Branch1]
FC(F)(F)C12CCC1O2
[F][C][Branch1][C][F][Branch1][C][F][C][C][C][C][Ring1][Ring2][O][Ring1][Branch1]
FC(F)(F)C12CCN1C2
[F][C][Branch1][C][F][Branch1][C][F][C][C][C][N][Ring1][Ring2][C][Ring1][Branch1]
FC(F)(F)C1=CCCC1
[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][C][C][Ring1][Branch1]
FC(F)(F)C1=CCOC1
[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][O][C][Ring1][Branch1]
FC(F)(F)C1=NCCN1
[F][C][Branch1][C][F][Branch1][C][F][C][=N][C][C][N][Ring1][Branch1]
FC(F)(F)C1=NCCO1
[F][C][Branch1][C][F][Branch1][C][F][C][=N][C][C][O][Ring1][Branch1]
FC(F)(F)C1C2CC1C2
[F][C][Branch1][C][F][Branch1][C][F][C][C][C][C][Ring1][Ring2][C][Ring1][Ring2]
FC(F)(F)C1C2CC1O2
[F][C][Branch1][C][F][Branch1][C][F][C][C][C][C][Ring1][Ring2][O][Ring1][Ring2]
FC(F)(F)C1C2CN1C2
[F][C][Branch1][C][F][Branch1][C][F][C][C][C][N][Ring1][Ring2][C][Ring1][Ring2]
FC(F)(F)C1C2CCC21
[F][C][Branch1][C][F][Branch1][C][F][C][C][C][C][C][Ring1][Ring2][Ring1][Branch1]
FC(F)(F)C1C2CCN21
[F][C][Branch1][C][F][Branch1][C][F][C][C][C][C][N][Ring1][Ring2][Ring1][Branch1]
FC(F)(F)C1C2COC21
[F][C][Branch1][C][F][Branch1][C][F][C][C][C][O][C][Ring1][Ring2][Ring1][Branch1]
N=C1CC(C(F)(F)F)O1
[N][=C][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][Ring1][Branch2]
O=C1CC(C(F)(F)F)C1
[O][=C][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][Branch2]
O=C1CC(C(F)(F)F)O1
[O][=C][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][Ring1][Branch2]
CC1(C)CC1C(F)(F)F
[C][C][Branch1][C][C][C][C][Ring1][Ring2][C][Branch1][C][F][Branch1][C][F][F]
CC1(O)CC1C(F)(F)F
[C][C][Branch1][C][O][C][C][Ring1][Ring2][C][Branch1][C][F][Branch1][C][F][F]
CC1(C)NC1C(F)(F)F
[C][C][Branch1][C][C][N][C][Ring1][Ring2][C][Branch1][C][F][Branch1][C][F][F]
CC1(C)OC1C(F)(F)F
[C][C][Branch1][C][C][O][C][Ring1][Ring2][C][Branch1][C][F][Branch1][C][F][F]
C#CC1CC1C(F)(F)F
[C][#C][C][C][C][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F]
N#CC1CC1C(F)(F)F
[N][#C][C][C][C][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F]
C#CC1NC1C(F)(F)F
[C][#C][C][N][C][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F]
N#CC1NC1C(F)(F)F
[N][#C][C][N][C][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F]
C#CC1OC1C(F)(F)F
[C][#C][C][O][C][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F]